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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
1063.20
|
-1.6
|
12
|
23
|
352.13
|
11
|
|
|
4-Hydroxybutyl isothiocyanate
|
131.20
|
1.7
|
1
|
3
|
64.68
|
4
|
|
|
Epidihydropinidine
|
141.25
|
2.4
|
1
|
1
|
12.03
|
2
|
|
|
(2S)-1-[(2R)-Piperidin-2-yl]propan-2-ol
|
143.23
|
0.8
|
2
|
2
|
32.26
|
2
|
|
|
1-Phenyl-2,4-pentadiyne
|
144.21
|
3.9
|
0
|
0
|
0
|
3
|
|
|
(2S,4S)-4-Hydroxypiperidine-2-carboxylic acid
|
145.16
|
-3
|
3
|
4
|
69.56
|
1
|
|
|
1-Methyl-4-((hydroxymethyl)vinyl)-cyclohex-1-ene
|
152.23
|
2.1
|
1
|
1
|
20.23
|
2
|
|
|
2-[(E)-hept-1-en-3,5-diynyl]furan
|
156.18
|
2.8
|
0
|
1
|
13.14
|
2
|
|
|
3-(1,2,3,6-Tetrahydropyridin-2-yl)-5-tritiopyridine
|
162.22
|
0.9
|
1
|
2
|
24.92
|
1
|
|
|
rel-(4R,4aS,7R,7aS)-Hexahydro-4,7-dimethylcyclopenta[c]pyran-1(3H)-one
|
168.23
|
2.6
|
0
|
2
|
26.3
|
0
|
|
|
(3R)-1-Octen-3-yl acetate
|
170.25
|
3.1
|
0
|
2
|
26.3
|
7
|
|
|
Isololiolide
|
196.24
|
1
|
1
|
3
|
46.53
|
0
|
|
|
o-Menth-2-ene, 4-isopropylidene-1-vinyl-
|
204.35
|
5
|
0
|
0
|
0
|
2
|
|
|
Spermidine
|
145.25
|
-1
|
3
|
3
|
64.07
|
7
|
|
|
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propan-2-ol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
(1S,6R,9R)-6-methyl-2,10-dimethylidene-12-oxatricyclo[7.3.1.01,6]tridecan-11-one
|
232.32
|
3.3
|
0
|
2
|
26.3
|
0
|
|
|
Orientalol F
|
236.35
|
1.7
|
1
|
2
|
29.46
|
1
|
|
|
Dihydroartemisinic acid
|
236.35
|
3.9
|
1
|
2
|
37.3
|
2
|
|
|
(2R,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-ol
|
238.37
|
2.4
|
2
|
2
|
40.46
|
1
|
|
|
(1S,2R,3R,5R,8R)-8-[(E,3R)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-2,3-diol
|
242.31
|
-0.1
|
3
|
4
|
69.92
|
2
|
|
|
Hirsutenol B
|
250.33
|
1.2
|
2
|
3
|
57.53
|
0
|
|
|
3-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-6-methylbenzene-1,2-diol
|
250.33
|
2.8
|
3
|
3
|
60.69
|
4
|
|
|
(2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
|
257.41
|
2.8
|
3
|
3
|
52.49
|
8
|
|
|
(1R,9S,10R,11R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol
|
258.36
|
1.6
|
2
|
3
|
45.15
|
0
|
|
|
(1R,2R,10S,11S,12S,13R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-ene-11,12-diol
|
263.37
|
1
|
2
|
3
|
43.7
|
0
|
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